SCHEMBL28248772

SCHEMBL28248772

Cn1nc(C(F)F)c(C(N)=O)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KDR P35968 2/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCQ Q04759 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NTRK1 P04629 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28430781 0.82 POLB (0.41) POLBKMT2ACSNK1DCSNK1ESMN1; SMN2
SCHEMBL28930107 0.82 POLB (0.41) POLBCA1CA2KMT2AMEN1
SCHEMBL18691185 0.81 POLB (0.40) POLBCA1CA2KMT2AMEN1
SCHEMBL3232399 0.81 POLB (0.40) POLBCA1CA2KMT2AMEN1
SCHEMBL1763152 0.81 CSNK1E (0.43) POLBKDRFGFR1FLT1GSK3A
SCHEMBL27708027 0.81 SCN9A (0.41) POLBNTRK1CSNK1DCSNK1ELMNA
SCHEMBL1762881 0.80 CSNK1D (0.41) POLBLRRK2CSNK1DCSNK1ETP53
SCHEMBL1762883 0.80 POLB (0.38) POLBRETCSNK1DCSNK1EGRM5
SCHEMBL1762833 0.80 PTGER4 (0.39) POLBGAAGRM5
SCHEMBL3865439 0.80 POLB (0.39) POLBCA1CA2KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108570018-A Amide compound and preparation method and application thereof 上海泰禾国际贸易有限公司 2018-09-25 CN disclosed